General Property |
Molceule ID (DB) | EGIN0005153 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 8k |
IUPAC Name | (S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(3-(dimethylamino)propyl)urea |
Formula | C24H28ClFN6O3 |
Mass | 502.969 |
Exact Mass | 502.189544704 |
Composition | C (57.31%), H (5.61%), Cl (7.05%), F (3.78%), N (16.71%), O (9.54%) |
Atom Count | 63 |
PI | 10.53 |
Smiles | [H]N(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C2=C(N=C([H])N=C2C([H])=C1O[C@]1([H])C([H])([H])OC([H])([H])C1([H])[H])N([H])C1=C([H])C(Cl)=C(F)C([H])=C1[H] |
InChI | 1S/C24H28ClFN6O3/c1-32(2)8-3-7-27-24(33)31-21-11-17-20(12-22(21)35-16-6-9-34-13-16)28-14-29-23(17)30
-15-4-5-19(26)18(25)10-15/h4-5,10-12,14,16H,3,6-9,13H2,1-2H3,(H2,27,31,33)(H,28,29,30)/t16-/m0/s1 |
InChIKey | AMQVRRBXYZICIR-INIZCTEOSA-N |
2D Structure | ![](./image/EGIN0005153.png) | Structure Backbone | ![](./frame/f_EGIN0005153.png) |
|
View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 24183742 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
-
|
Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | - |